Cobalt in PDB 8qex: Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat)

The structure of Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat), PDB code: 8qex was solved by R.P.Jakob, D.Chen, T.R.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.25 / 1.90
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	48.456, 80.534, 78.766, 90, 103.92, 90
R / Rfree (%)	22.9 / 25.4

The binding sites of Cobalt atom in the Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat) (pdb code 8qex). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat), PDB code: 8qex:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:38.0 occ:0.50 CO1 A:UFU201 0.0 38.0 0.5 C17 B:UFU201 0.9 40.0 0.5 C19 B:UFU201 1.4 40.9 0.5 C15 B:UFU201 1.6 43.3 0.5 N5 A:UFU201 1.9 39.7 0.5 O4 A:UFU201 1.9 39.6 0.5 N6 A:UFU201 1.9 37.5 0.5 O5 A:UFU201 1.9 39.2 0.5 NE2 A:HIS131 2.0 50.3 1.0 N6 B:UFU201 2.1 38.1 0.5 C18 B:UFU201 2.1 41.4 0.5 C14 B:UFU201 2.2 42.6 0.5 C16 B:UFU201 2.4 43.0 0.5 N5 B:UFU201 2.6 41.1 0.5 C19 A:UFU201 2.8 38.5 0.5 C17 A:UFU201 2.8 38.5 0.5 C21 A:UFU201 2.9 34.6 0.5 C20 A:UFU201 2.9 42.2 0.5 C24 A:UFU201 2.9 36.4 0.5 C30 A:UFU201 2.9 43.5 0.5 CE1 A:HIS131 2.9 51.6 1.0 C21 B:UFU201 2.9 34.8 0.5 CD2 A:HIS131 3.1 50.5 1.0 CO1 B:UFU201 3.3 39.4 0.5 C22 A:UFU201 3.3 34.2 0.5 C28 A:UFU201 3.3 43.9 0.5 C20 B:UFU201 3.6 43.3 0.5 C13 B:UFU201 3.7 38.8 0.5 ND1 A:HIS131 4.1 50.2 1.0 C18 A:UFU201 4.1 38.3 0.5 C15 A:UFU201 4.1 41.8 0.5 C22 B:UFU201 4.2 33.7 0.5 CG A:HIS131 4.2 45.5 1.0 C26 A:UFU201 4.2 36.7 0.5 C32 A:UFU201 4.2 46.6 0.5 O3 B:UFU201 4.2 41.5 0.5 C38 A:UFU201 4.4 47.4 0.5 C41 A:UFU201 4.5 37.0 0.5 NE2 B:HIS131 4.6 49.2 1.0 N4 B:UFU201 4.6 38.1 0.5 O5 B:UFU201 4.6 39.4 0.5 CE1 B:HIS131 4.7 47.6 1.0 C23 A:UFU201 4.7 31.6 0.5 C29 A:UFU201 4.7 44.7 0.5 C40 A:UFU201 4.7 38.6 0.5 C42 A:UFU201 4.8 37.3 0.5 C36 A:UFU201 4.8 48.0 0.5 C37 A:UFU201 4.8 47.6 0.5 O4 B:UFU201 4.9 41.8 0.5 C24 B:UFU201 4.9 34.1 0.5 C28 B:UFU201 4.9 44.1 0.5

Cobalt binding site 2 out of 2 in the Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Streptavidin Variant with A Cobalt Catalyst For Ch Metal-Catalyzed Hydrogen-Atom-Transfer (M-Hat) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:39.4 occ:0.50 CO1 B:UFU201 0.0 39.4 0.5 C17 A:UFU201 1.1 38.5 0.5 C19 A:UFU201 1.4 38.5 0.5 C15 A:UFU201 1.8 41.8 0.5 N5 B:UFU201 1.9 41.1 0.5 O4 B:UFU201 1.9 41.8 0.5 O5 B:UFU201 1.9 39.4 0.5 N6 B:UFU201 1.9 38.1 0.5 NE2 B:HIS131 2.1 49.2 1.0 C18 A:UFU201 2.1 38.3 0.5 N6 A:UFU201 2.2 37.5 0.5 C14 A:UFU201 2.4 40.9 0.5 C16 A:UFU201 2.4 39.1 0.5 N5 A:UFU201 2.5 39.7 0.5 C19 B:UFU201 2.8 40.9 0.5 C17 B:UFU201 2.8 40.0 0.5 C21 B:UFU201 2.9 34.8 0.5 C20 B:UFU201 2.9 43.3 0.5 C24 B:UFU201 2.9 34.1 0.5 C30 B:UFU201 2.9 42.7 0.5 CE1 B:HIS131 2.9 47.6 1.0 C21 A:UFU201 3.0 34.6 0.5 CD2 B:HIS131 3.2 49.4 1.0 CO1 A:UFU201 3.3 38.0 0.5 C22 B:UFU201 3.3 33.7 0.5 C28 B:UFU201 3.3 44.1 0.5 C20 A:UFU201 3.6 42.2 0.5 C13 A:UFU201 3.8 39.1 0.5 ND1 B:HIS131 4.1 46.0 1.0 C18 B:UFU201 4.1 41.4 0.5 C15 B:UFU201 4.2 43.3 0.5 C26 B:UFU201 4.2 32.4 0.5 C32 B:UFU201 4.2 44.1 0.5 CG B:HIS131 4.3 43.6 1.0 C22 A:UFU201 4.3 34.2 0.5 O3 A:UFU201 4.3 44.3 0.5 C38 B:UFU201 4.5 45.5 0.5 NE2 A:HIS131 4.5 50.3 1.0 C41 B:UFU201 4.5 32.6 0.5 CE1 A:HIS131 4.7 51.6 1.0 C23 B:UFU201 4.7 31.3 0.5 O5 A:UFU201 4.7 39.2 0.5 C29 B:UFU201 4.7 44.5 0.5 C40 B:UFU201 4.7 33.0 0.5 C36 B:UFU201 4.7 46.5 0.5 C42 B:UFU201 4.8 32.3 0.5 N4 A:UFU201 4.8 36.5 0.5 C37 B:UFU201 4.8 46.9 0.5 C28 A:UFU201 4.8 43.9 0.5 O4 A:UFU201 4.8 39.6 0.5 C24 A:UFU201 5.0 36.4 0.5

D.Chen, X.Zhang, A.A.Vorobieva, R.Tachibana, A.Stein, R.P.Jakob, Z.Zou, D.A.Graf, A.Li, T.Maier, B.E.Correia, T.R.Ward. An Evolved Artificial Radical Cyclase Enables the Construction of Bicyclic Terpenoid Scaffolds Via An H-Atom Transfer Pathway. Nat.Chem. 2024.
ISSN: ESSN 1755-4349
PubMed: 39030420
DOI: 10.1038/S41557-024-01562-5